Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

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    ORCID: 0000-0003-4090-7697

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    1. Published

      MP2 correlation effects upon the electronic and vibrational properties of polyyne

      Poulsen, T. D., Mikkelsen, Kurt Valentin, Fripiat, J. G., Jacquemin, D. & Champagne, B., 2001, In: Journal of Chemical Physics. 114, p. 5917-5922

      Research output: Contribution to journal › Journal article › Research › peer-review

    2. Published

      Solvent effects on the O2(a1Δg)-O2(X3Σg-) radiative transition: Comments regarding charge-transfer interactions

      Poulsen, T. D., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 1998, In: J. Phys. Chem. A.. 102, p. 9829-9832

      Research output: Contribution to journal › Journal article › Research › peer-review

    3. Published

      A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics response method

      Poulsen, T. D., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 7843-7851

      Research output: Contribution to journal › Journal article › Research › peer-review

    4. Published

      The a1 Δg → X3 Σg- transition in molecular oxygen: Interpretation of solvent effects on spectral shifts

      Poulsen, T. D., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 1999, In: Journal of Physical Chemistry A. 103, p. 3418-3422

      Research output: Contribution to journal › Journal article › Research › peer-review

    5. Published

      Two-Photon Singlet Oxygen Sensitizers: Quantifying Modeling, and Optimizing the Two-Photon Absorption Cross Section

      Poulsen, T. D., Frederiksen, P. K., Jørgensen, M., Mikkelsen, Kurt Valentin & Ogilby, P. R., 2001, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. A 105, p. 11488-11495

      Research output: Contribution to journal › Journal article › Research › peer-review

    6. Published

      Theoretical Investigation of OPV5’s Transport Properties in the Coulomb Blockade Regime

      Prestholm, I., Olsen, S. T., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2022, In: Chemical Engineering & Process Techniques. 7, 1, 7 p., 1064.

      Research output: Contribution to journal › Journal article › Research › peer-review

    7. Published

      Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage

      Quant, M., Hillers-Bendtsen, Andreas Erbs, Ghasemi, S., Erdelyi, M., Wang, Z., Muhammad, L. M., Kann, N., Mikkelsen, Kurt Valentin & Moth-poulsen, K., 2022, In: Chemical Science. 13, 3, p. 834–841 8 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

    8. Published

      Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters

      Rasmussen, F. R., Kubečka, J., Besel, V., Vehkamäki, H., Mikkelsen, Kurt Valentin, Bilde, M. & Elm, J., 25 Jun 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 25, p. 5253-5261 9 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

    9. Published

      Subphthalocyanine–triangulene dyads: Property tuning for light-harvesting device applications

      Rasmussen, M. G., Jespersen, M. F., Blacque, O., Mikkelsen, Kurt Valentin, Juríček, M. & Nielsen, Mogens Brøndsted, 2022, In: Energy Science and Engineering. 10, 5, p. 1752–1762 11 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

    10. Published

      Density Functional Theory Investigation on Boron Subphthalocyanine-Ferrocene Dyads

      Rasmussen, Maria Harris, Vishart, A. L., Storm, F. E. & Mikkelsen, Kurt Valentin, 2018, In: Journal of Physical Chemistry A. 122, 38, p. 7620-7627 8 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

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